-
1
-
-
0036835460
-
Integration of virtual and high-throughput screening
-
Bajorath J, (2002) Integration of virtual and high-throughput screening. Nat Rev Drug Discov 1: 882-894.
-
(2002)
Nat Rev Drug Discov
, vol.1
, pp. 882-894
-
-
Bajorath, J.1
-
2
-
-
33847704942
-
Challenges in tuberculosis drug research and development
-
Ginsberg AM, Spigelman M, (2007) Challenges in tuberculosis drug research and development. Nat Med 13: 290-294.
-
(2007)
Nat Med
, vol.13
, pp. 290-294
-
-
Ginsberg, A.M.1
Spigelman, M.2
-
3
-
-
42149131579
-
Cell-division inhibitors: new insights for future antibiotics
-
Lock RL, Harry EJ, (2008) Cell-division inhibitors: new insights for future antibiotics. Nat Rev Drug Discov 7: 324-338.
-
(2008)
Nat Rev Drug Discov
, vol.7
, pp. 324-338
-
-
Lock, R.L.1
Harry, E.J.2
-
4
-
-
0037107887
-
Structure-based virtual screening: an overview
-
Lyne PD, (2002) Structure-based virtual screening: an overview. Drug Discov Today 7: 1047-1055.
-
(2002)
Drug Discov Today
, vol.7
, pp. 1047-1055
-
-
Lyne, P.D.1
-
5
-
-
11144323163
-
Virtual screening of chemical libraries
-
Shoichet BK, (2004) Virtual screening of chemical libraries. Nature 432: 862-865.
-
(2004)
Nature
, vol.432
, pp. 862-865
-
-
Shoichet, B.K.1
-
6
-
-
0036680148
-
Lead discovery using molecular docking
-
Shoichet BK, McGovern SL, Wei B, Irwin JJ, (2002) Lead discovery using molecular docking. Curr Opin Chem Biol 6: 439-446.
-
(2002)
Curr Opin Chem Biol
, vol.6
, pp. 439-446
-
-
Shoichet, B.K.1
McGovern, S.L.2
Wei, B.3
Irwin, J.J.4
-
7
-
-
75549090603
-
The Pfam protein families database
-
Finn RD, Mistry J, Tate J, Coggill P, Heger A, et al. (2010) The Pfam protein families database. Nucleic Acids Res 38: D211-222.
-
(2010)
Nucleic Acids Res
, vol.38
-
-
Finn, R.D.1
Mistry, J.2
Tate, J.3
Coggill, P.4
Heger, A.5
-
8
-
-
58149203231
-
InterPro: the integrative protein signature database
-
Hunter S, Apweiler R, Attwood TK, Bairoch A, Bateman A, et al. (2009) InterPro: the integrative protein signature database. Nucleic Acids Res 37: D211-215.
-
(2009)
Nucleic Acids Res
, vol.37
-
-
Hunter, S.1
Apweiler, R.2
Attwood, T.K.3
Bairoch, A.4
Bateman, A.5
-
9
-
-
0346494941
-
SCOP database in 2004: refinements integrate structure and sequence family data
-
Andreeva A, Howorth D, Brenner SE, Hubbard TJ, Chothia C, et al. (2004) SCOP database in 2004: refinements integrate structure and sequence family data. Nucleic Acids Res 32: D226-229.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Andreeva, A.1
Howorth, D.2
Brenner, S.E.3
Hubbard, T.J.4
Chothia, C.5
-
10
-
-
0036835460
-
Integration of virtual and high-throughput screening
-
Bajorath J, (2002) Integration of virtual and high-throughput screening. Nat Rev Drug Discov 1: 882-894.
-
(2002)
Nat Rev Drug Discov
, vol.1
, pp. 882-894
-
-
Bajorath, J.1
-
11
-
-
58149088865
-
Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching
-
Wei D, Jiang X, Zhou L, Chen J, Chen Z, et al. (2008) Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem 51: 7882-7888.
-
(2008)
J Med Chem
, vol.51
, pp. 7882-7888
-
-
Wei, D.1
Jiang, X.2
Zhou, L.3
Chen, J.4
Chen, Z.5
-
12
-
-
37649009919
-
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
-
Wolber G, Seidel T, Bendix F, Langer T, (2008) Molecule-pharmacophore superpositioning and pattern matching in computational drug design. Drug Discov Today 13: 23-29.
-
(2008)
Drug Discov Today
, vol.13
, pp. 23-29
-
-
Wolber, G.1
Seidel, T.2
Bendix, F.3
Langer, T.4
-
13
-
-
0036137494
-
Designing drugs against heterogeneous targets
-
Freire E, (2002) Designing drugs against heterogeneous targets. Nat Biotechnol 20: 15-16.
-
(2002)
Nat Biotechnol
, vol.20
, pp. 15-16
-
-
Freire, E.1
-
14
-
-
33845762340
-
Multi-target therapeutics: when the whole is greater than the sum of the parts
-
Zimmermann GR, Lehar J, Keith CT, (2007) Multi-target therapeutics: when the whole is greater than the sum of the parts. Drug Discov Today 12: 34-42.
-
(2007)
Drug Discov Today
, vol.12
, pp. 34-42
-
-
Zimmermann, G.R.1
Lehar, J.2
Keith, C.T.3
-
15
-
-
58149088865
-
Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching
-
Wei D, Jiang X, Zhou L, Chen J, Chen Z, et al. (2008) Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem 51: 7882-7888.
-
(2008)
J Med Chem
, vol.51
, pp. 7882-7888
-
-
Wei, D.1
Jiang, X.2
Zhou, L.3
Chen, J.4
Chen, Z.5
-
16
-
-
77954249073
-
SiMMap: a web server for inferring site-moiety map to recognize interaction preferences between protein pockets and compound moieties
-
Chen YF, Hsu KC, Lin SR, Wang WC, Huang YC, et al. (2010) SiMMap: a web server for inferring site-moiety map to recognize interaction preferences between protein pockets and compound moieties. Nucleic Acids Res 38 (Suppl): W424-430.
-
(2010)
Nucleic Acids Res
, vol.38
, Issue.SUPPL.
-
-
Chen, Y.F.1
Hsu, K.C.2
Lin, S.R.3
Wang, W.C.4
Huang, Y.C.5
-
17
-
-
84863287675
-
-
World Health Organization (WHO), Global tuberculosis control - surveillance, planning, financing (WHO/HTM/TB/2008.393)
-
World Health Organization (WHO) (2008) Global tuberculosis control- surveillance, planning, financing (WHO/HTM/TB/2008.393).
-
(2008)
-
-
-
18
-
-
33644991496
-
Global epidemiology of tuberculosis
-
Dye C, (2006) Global epidemiology of tuberculosis. Lancet 367: 938-940.
-
(2006)
Lancet
, vol.367
, pp. 938-940
-
-
Dye, C.1
-
19
-
-
28044450588
-
Structural basis for shikimate-binding specificity of Helicobacter pylori shikimate kinase
-
Cheng WC, Chang YN, Wang WC, (2005) Structural basis for shikimate-binding specificity of Helicobacter pylori shikimate kinase. J Bacteriol 187: 8156-8163.
-
(2005)
J Bacteriol
, vol.187
, pp. 8156-8163
-
-
Cheng, W.C.1
Chang, Y.N.2
Wang, W.C.3
-
20
-
-
0032565968
-
Evidence for the shikimate pathway in apicomplexan parasites
-
Roberts F, Roberts CW, Johnson JJ, Kyle DE, Krell T, et al. (1998) Evidence for the shikimate pathway in apicomplexan parasites. Nature 393: 801-805.
-
(1998)
Nature
, vol.393
, pp. 801-805
-
-
Roberts, F.1
Roberts, C.W.2
Johnson, J.J.3
Kyle, D.E.4
Krell, T.5
-
21
-
-
33751246776
-
Mechanism of phosphoryl transfer catalyzed by shikimate kinase from Mycobacterium tuberculosis
-
Hartmann MD, Bourenkov GP, Oberschall A, Strizhov N, Bartunik HD, (2006) Mechanism of phosphoryl transfer catalyzed by shikimate kinase from Mycobacterium tuberculosis. J Mol Biol 364: 411-423.
-
(2006)
J Mol Biol
, vol.364
, pp. 411-423
-
-
Hartmann, M.D.1
Bourenkov, G.P.2
Oberschall, A.3
Strizhov, N.4
Bartunik, H.D.5
-
22
-
-
0036300993
-
Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis
-
Gu Y, Reshetnikova L, Li Y, Wu Y, Yan H, et al. (2002) Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis. J Mol Biol 319: 779-789.
-
(2002)
J Mol Biol
, vol.319
, pp. 779-789
-
-
Gu, Y.1
Reshetnikova, L.2
Li, Y.3
Wu, Y.4
Yan, H.5
-
23
-
-
23844555629
-
Consensus scoring criteria for improving enrichment in virtual screening
-
Yang JM, Chen YF, Shen TW, Kristal BS, Hsu DF, (2005) Consensus scoring criteria for improving enrichment in virtual screening. J Chem Inf Model 45: 1134-1146.
-
(2005)
J Chem Inf Model
, vol.45
, pp. 1134-1146
-
-
Yang, J.M.1
Chen, Y.F.2
Shen, T.W.3
Kristal, B.S.4
Hsu, D.F.5
-
24
-
-
33746083227
-
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue
-
Gan J, Gu Y, Li Y, Yan H, Ji X, (2006) Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue. Biochemistry 45: 8539-8545.
-
(2006)
Biochemistry
, vol.45
, pp. 8539-8545
-
-
Gan, J.1
Gu, Y.2
Li, Y.3
Yan, H.4
Ji, X.5
-
25
-
-
0142103667
-
Development of new insulin-like growth factor-1 receptor kinase inhibitors using catechol mimics
-
Blum G, Gazit A, Levitzki A, (2003) Development of new insulin-like growth factor-1 receptor kinase inhibitors using catechol mimics. J Biol Chem 278: 40442-40454.
-
(2003)
J Biol Chem
, vol.278
, pp. 40442-40454
-
-
Blum, G.1
Gazit, A.2
Levitzki, A.3
-
26
-
-
0036896612
-
Epidermal growth factor-induced activation of the insulin-like growth factor I receptor in rat hepatocytes
-
Hallak H, Moehren G, Tang J, Kaou M, Addas M, et al. (2002) Epidermal growth factor-induced activation of the insulin-like growth factor I receptor in rat hepatocytes. Hepatology 36: 1509-1518.
-
(2002)
Hepatology
, vol.36
, pp. 1509-1518
-
-
Hallak, H.1
Moehren, G.2
Tang, J.3
Kaou, M.4
Addas, M.5
-
27
-
-
2542464026
-
Transactivation of the insulin-like growth factor-I receptor by angiotensin II mediates downstream signaling from the angiotensin II type 1 receptor to phosphatidylinositol 3-kinase
-
Zahradka P, Litchie B, Storie B, Helwer G, (2004) Transactivation of the insulin-like growth factor-I receptor by angiotensin II mediates downstream signaling from the angiotensin II type 1 receptor to phosphatidylinositol 3-kinase. Endocrinology 145: 2978-2987.
-
(2004)
Endocrinology
, vol.145
, pp. 2978-2987
-
-
Zahradka, P.1
Litchie, B.2
Storie, B.3
Helwer, G.4
-
28
-
-
33746083227
-
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue
-
Gan J, Gu Y, Li Y, Yan H, Ji X, (2006) Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue. Biochemistry 45: 8539-8545.
-
(2006)
Biochemistry
, vol.45
, pp. 8539-8545
-
-
Gan, J.1
Gu, Y.2
Li, Y.3
Yan, H.4
Ji, X.5
-
29
-
-
1842532062
-
GEMDOCK: a generic evolutionary method for molecular docking
-
Yang JM, Chen CC, (2004) GEMDOCK: a generic evolutionary method for molecular docking. Proteins: Structure, Function, and Bioinformatics 55: 288-304.
-
(2004)
Proteins: Structure, Function, and Bioinformatics
, vol.55
, pp. 288-304
-
-
Yang, J.M.1
Chen, C.C.2
-
30
-
-
16344377697
-
A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators
-
Yang JM, Shen TW, (2005) A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators. Proteins: Structure, Function, and Bioinformatics 59: 205-220.
-
(2005)
Proteins: Structure, Function, and Bioinformatics
, vol.59
, pp. 205-220
-
-
Yang, J.M.1
Shen, T.W.2
-
31
-
-
55849131743
-
Combinatorial computational approaches to identify tetracycline derivatives as flavivirus inhibitors
-
Yang JM, Chen YF, Tu YY, Yen KR, Yang YL, (2007) Combinatorial computational approaches to identify tetracycline derivatives as flavivirus inhibitors. PLoS One 2: e428.
-
(2007)
PLoS One
, vol.2
-
-
Yang, J.M.1
Chen, Y.F.2
Tu, Y.Y.3
Yen, K.R.4
Yang, Y.L.5
-
32
-
-
77949325119
-
The cAMP receptor-like protein CLP is a novel c-di-GMP receptor linking cell-cell signaling to virulence gene expression in Xanthomonas campestris
-
Chin KH, Lee YC, Tu ZL, Chen CH, Tseng YH, et al. (2010) The cAMP receptor-like protein CLP is a novel c-di-GMP receptor linking cell-cell signaling to virulence gene expression in Xanthomonas campestris. J Mol Biol 396: 646-662.
-
(2010)
J Mol Biol
, vol.396
, pp. 646-662
-
-
Chin, K.H.1
Lee, Y.C.2
Tu, Z.L.3
Chen, C.H.4
Tseng, Y.H.5
-
33
-
-
58149476178
-
Aurintricarboxylic acid inhibits influenza virus neuraminidase
-
Hung HC, Tseng CP, Yang JM, Ju YW, Tseng SN, et al. (2009) Aurintricarboxylic acid inhibits influenza virus neuraminidase. Antiviral Res 81: 123-131.
-
(2009)
Antiviral Res
, vol.81
, pp. 123-131
-
-
Hung, H.C.1
Tseng, C.P.2
Yang, J.M.3
Ju, Y.W.4
Tseng, S.N.5
-
34
-
-
61549125031
-
Rational design for crystallization of beta-lactoglobulin and vitamin D-3 complex: revealing a secondary binding site
-
Yang M-C, Guan H-H, Yang J-M, Ko C-N, Liu M-Y, et al. (2008) Rational design for crystallization of beta-lactoglobulin and vitamin D-3 complex: revealing a secondary binding site. Cryst Growth Des 8: 4268-4276.
-
(2008)
Cryst Growth Des
, vol.8
, pp. 4268-4276
-
-
Yang, M.-C.1
Guan, H.-H.2
Yang, J.-M.3
Ko, C.-N.4
Liu, M.-Y.5
-
35
-
-
0031715982
-
Protein structure alignment by incremental combinatorial extension (CE) of the optimal path
-
Shindyalov IN, Bourne PE, (1998) Protein structure alignment by incremental combinatorial extension (CE) of the optimal path. Protein Eng 11: 739-747.
-
(1998)
Protein Eng
, vol.11
, pp. 739-747
-
-
Shindyalov, I.N.1
Bourne, P.E.2
-
36
-
-
33644873213
-
The Universal Protein Resource (UniProt): an expanding universe of protein information
-
Wu CH, Apweiler R, Bairoch A, Natale DA, Barker WC, et al. (2006) The Universal Protein Resource (UniProt): an expanding universe of protein information. Nucleic Acids Res 34: D187-D191.
-
(2006)
Nucleic Acids Res
, vol.34
-
-
Wu, C.H.1
Apweiler, R.2
Bairoch, A.3
Natale, D.A.4
Barker, W.C.5
-
37
-
-
23144448512
-
ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures
-
Landau M, Mayrose I, Rosenberg Y, Glaser F, Martz E, et al. (2005) ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures. Nucleic Acids Res 33: W299-302.
-
(2005)
Nucleic Acids Res
, vol.33
-
-
Landau, M.1
Mayrose, I.2
Rosenberg, Y.3
Glaser, F.4
Martz, E.5
-
38
-
-
0345864027
-
The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data
-
Porter CT, Bartlett GJ, Thornton JM, (2004) The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data. Nucleic Acids Res 32: D129-D133.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Porter, C.T.1
Bartlett, G.J.2
Thornton, J.M.3
-
39
-
-
0035936567
-
Crystal structure and catalytic mechanism of the MJ0109 gene product: A bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities
-
Johnson KA, Chen LJ, Yang HY, Roberts MF, Stec B, (2001) Crystal structure and catalytic mechanism of the MJ0109 gene product: A bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities. Biochemistry 40: 618-630.
-
(2001)
Biochemistry
, vol.40
, pp. 618-630
-
-
Johnson, K.A.1
Chen, L.J.2
Yang, H.Y.3
Roberts, M.F.4
Stec, B.5
-
40
-
-
2342558431
-
Androgen receptor in prostate cancer
-
Heinlein CA, Chang CS, (2004) Androgen receptor in prostate cancer. Endocr Rev 25: 276-308.
-
(2004)
Endocr Rev
, vol.25
, pp. 276-308
-
-
Heinlein, C.A.1
Chang, C.S.2
-
41
-
-
34547522758
-
Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs
-
Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, et al. (2007) Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A 104: 11927-11932.
-
(2007)
Proc Natl Acad Sci U S A
, vol.104
, pp. 11927-11932
-
-
Bisson, W.H.1
Cheltsov, A.V.2
Bruey-Sedano, N.3
Lin, B.4
Chen, J.5
-
42
-
-
33845379303
-
Atom pairs as molecular features in structure-activity studies: definition and applications
-
Carhart RE, Smith DH, Venkataraghavan R, (1985) Atom pairs as molecular features in structure-activity studies: definition and applications. J Chem Inf Comp Sci 25: 64-73.
-
(1985)
J Chem Inf Comp Sci
, vol.25
, pp. 64-73
-
-
Carhart, R.E.1
Smith, D.H.2
Venkataraghavan, R.3
-
43
-
-
5344244908
-
Chemical similarity searching
-
Willet P, (1998) Chemical similarity searching. J Chem Inf Comp Sci 38: 983-996.
-
(1998)
J Chem Inf Comp Sci
, vol.38
, pp. 983-996
-
-
Willet, P.1
-
45
-
-
33746274673
-
Structure-stability-activity relationship in covalently cross-linked N-carbamoyl D-amino acid amidohydrolase and N-acylamino acid racemase
-
Chiu WC, You JY, Liu JS, Hsu SK, Hsu WH, et al. (2006) Structure-stability-activity relationship in covalently cross-linked N-carbamoyl D-amino acid amidohydrolase and N-acylamino acid racemase. J Mol Biol 359: 741-753.
-
(2006)
J Mol Biol
, vol.359
, pp. 741-753
-
-
Chiu, W.C.1
You, J.Y.2
Liu, J.S.3
Hsu, S.K.4
Hsu, W.H.5
-
46
-
-
0022474607
-
The cloning and expression of the aroL gene from Escherichia coli K12. Purification and complete amino acid sequence of shikimate kinase II, the aroL-gene product
-
Millar G, Lewendon A, Hunter MG, Coggins JR, (1986) The cloning and expression of the aroL gene from Escherichia coli K12. Purification and complete amino acid sequence of shikimate kinase II, the aroL-gene product. Biochem J 237: 427-437.
-
(1986)
Biochem J
, vol.237
, pp. 427-437
-
-
Millar, G.1
Lewendon, A.2
Hunter, M.G.3
Coggins, J.R.4
|